1-[6-(2-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-6-pyridin-4-ylhexan-1-one

C23H20FN3O2 — CID 122698292

IUPAC1-[6-(2-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-6-pyridin-4-ylhexan-1-one
SMILESO=C(CCCCCc1ccncc1)c1nc2ncc(-c3ccccc3F)cc2o1
InChIInChI=1S/C23H20FN3O2/c24-19-8-5-4-7-18(19)17-14-21-22(26-15-17)27-23(29-21)20(28)9-3-1-2-6-16-10-12-25-13-11-16/h4-5,7-8,10-15H,1-3,6,9H2
InChIKeyFQOHLEMKLHXNOI-UHFFFAOYSA-N
MW389.43 g/mol
LogP5.41
Rot. Bonds8

About 1-[6-(2-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-6-pyridin-4-ylhexan-1-one

1-[6-(2-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-6-pyridin-4-ylhexan-1-one (PubChem CID 122698292) has the molecular formula C23H20FN3O2 and a molecular weight of 389.43 g/mol. Its IUPAC name is 1-[6-(2-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-6-pyridin-4-ylhexan-1-one.

Molecular Properties

Compound Name1-[6-(2-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-6-pyridin-4-ylhexan-1-one
PubChem CID122698292
Molecular FormulaC23H20FN3O2
Molecular Weight389.43 g/mol
Exact Mass389.15
IUPAC Name1-[6-(2-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-6-pyridin-4-ylhexan-1-one
SMILESO=C(CCCCCc1ccncc1)c1nc2ncc(-c3ccccc3F)cc2o1
InChIInChI=1S/C23H20FN3O2/c24-19-8-5-4-7-18(19)17-14-21-22(26-15-17)27-23(29-21)20(28)9-3-1-2-6-16-10-12-25-13-11-16/h4-5,7-8,10-15H,1-3,6,9H2
InChIKeyFQOHLEMKLHXNOI-UHFFFAOYSA-N
XLogP5.41
TPSA68.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.43
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-6-pyridin-4-ylhexan-1-one?
The IUPAC name of 1-[6-(2-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-6-pyridin-4-ylhexan-1-one (CID 122698292) is 1-[6-(2-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-6-pyridin-4-ylhexan-1-one.
What is the SMILES notation for 1-[6-(2-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-6-pyridin-4-ylhexan-1-one?
The canonical SMILES for 1-[6-(2-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-6-pyridin-4-ylhexan-1-one is O=C(CCCCCc1ccncc1)c1nc2ncc(-c3ccccc3F)cc2o1.
What is the InChIKey of 1-[6-(2-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-6-pyridin-4-ylhexan-1-one?
The InChIKey is FQOHLEMKLHXNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O2/c24-19-8-5-4-7-18(19)17-14-21-22(26-15-17)27-23(29-21)20(28)9-3-1-2-6-16-10-12-25-13-11-16/h4-5,7-8,10-15H,1-3,6,9H2.
What are the key properties of 1-[6-(2-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-6-pyridin-4-ylhexan-1-one?
1-[6-(2-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-6-pyridin-4-ylhexan-1-one has a molecular weight of 389.43 g/mol, XLogP of 5.41, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-6-pyridin-4-ylhexan-1-one is sourced from PubChem (CID 122698292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).